#------------------------------------------------------------------------------
#$Date: 2015-10-12 23:29:31 +0200 (lun 12 de oct de 2015) $
#$Revision: 166800 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/83/1538333.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1538333
loop_
_publ_author_name
'Malakho, A.P.'
'Lazoryak, B.I.'
'Belik, A.A.'
_publ_section_title
;
 Synthesis and crystal structure of Co5 Cr2.667 (V O4)6
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              709
_journal_page_last               714
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'Co5 Cr2.667 O24 V6'
_chemical_name_systematic        'Co5 Cr2.667 (V O4)6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.9752
_cell_length_b                   10.1543
_cell_length_c                   17.1255
_cell_volume                     865.175
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Malakho_ZNOKAQ_2003_466.cif
_cod_data_source_block           Co5Cr2.667O24V6
_cod_original_cell_volume        865.1747
_cod_database_code               1538333
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O4 O-2 0.581 0.385 0.0324 1 0.0
Co2 Co+2 0.253 0.4262 0.9735 0.75 0.0
V2 V+5 0.72 0.472 0.843 1 0.0
V1 V+5 -0.218 0.25 0.0576 1 0.0
O7 O-2 -0.083 0.379 0.7863 1 0.0
O6 O-2 0.656 0.75 0.653 1 0.0
Cr1 Cr+3 0.253 0.4262 0.9735 0.25 0.0
O3 O-2 0.063 0.25 0.996 1 0.0
Cr2 Cr+3 0.903 0.75 0.7497 0.833 0.0
O1 O-2 0.644 0.615 0.7967 1 0.0
O5 O-2 0.917 0.508 0.9263 1 0.0
O2 O-2 0.419 0.386 0.8713 1 0.0
Co1 Co+2 0.241 0.25 0.8044 1 0.0
